SCHEMBL5162215

SCHEMBL5162215

O=c1[nH]nc(CN2CC3C[C@@]3(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2c2ccccc2)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.57
TACR2 P21452 1/20 0.56
TACR3 P29371 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5162740 0.85 TACR1 (0.58) TACR1TACR2TACR3
SCHEMBL5164251 0.85 TACR1 (0.58) TACR1TACR2TACR3
SCHEMBL5161762 0.85 TACR1 (0.58) TACR1TACR2TACR3
SCHEMBL5406625 0.78 TACR1 (0.40) TACR1
SCHEMBL5159610 0.78 TACR1 (0.40) TACR1
SCHEMBL5161723 0.78 TACR1 (0.40) TACR1
SCHEMBL5187519 0.77 TACR1 (0.47) TACR1
SCHEMBL5161635 0.77 TACR1 (0.47) TACR1
SCHEMBL4023089 0.74 TACR1 (0.61) TACR1TACR2TACR3
SCHEMBL4027731 0.74 TACR1 (0.66) TACR1TACR2TACR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241798-B2 NK1 antagonists PFIZER INC. (US) 2007-07-10 US claimed
EP-1756056-A1 AZA-BICYCLO[3.1.0]HEX-1-YL DERIVATIVES ACTIVE AS NK1 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-28 EP claimed
WO-2005121085-A1 AZA-BICYCLO`3.1.0!HEX-1-YL DERIVATIVES ACTIVE AS NK1 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-12-22 WO claimed
US-20050272800-A1 NK1 antagonists PFIZER INC 2005-12-08 US claimed
US-7241798-B2 NK1 antagonists PFIZER INC. (US) 2007-07-10 US disclosed
EP-1756056-A1 AZA-BICYCLO[3.1.0]HEX-1-YL DERIVATIVES ACTIVE AS NK1 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-28 EP disclosed
WO-2005121085-A1 AZA-BICYCLO`3.1.0!HEX-1-YL DERIVATIVES ACTIVE AS NK1 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-12-22 WO disclosed
US-20050272800-A1 NK1 antagonists PFIZER INC 2005-12-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050272800-A1 NK1 antagonists TACR1, TACR2, TAC3 TACR1 1/4885TACR2 2/4885TACR3 8/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.